SCHEMBL8630948

SCHEMBL8630948

COc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)nn(CCCO)c2C(F)(F)F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.46
PTGS1 P23219 7/20 0.46
F10 P00742 8/20 0.43
PDE2A O00408 2/20 0.40
PDE4B Q07343 2/20 0.40
F2 P00734 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8634283 0.92 F10 (0.42) PTGS2PTGS1F10PDE2APDE4B
SCHEMBL8631963 0.89 F10 (0.42) PTGS2PTGS1F10F2
SCHEMBL8631748 0.89 PTGS2 (0.51) PTGS2PTGS1F10F2
SCHEMBL8635102 0.88 PTGS2 (0.43) PTGS2PTGS1F10F2
SCHEMBL8631660 0.87 F10 (0.50) PTGS2PTGS1F10F2
SCHEMBL8630564 0.86 PTGS2 (0.45) PTGS2PTGS1F10PDE4BF2
SCHEMBL7773004 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8629546 0.86 PTGS2 (0.49) PTGS2PTGS1F10F2
SCHEMBL8631727 0.86 PTGS2 (0.44) PTGS2PTGS1F10F2
SCHEMBL8627992 0.85 PTGS2 (0.52) PTGS2PTGS1F10F2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed